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6298-19-7 molecular structure
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2-chloropyridin-3-amine

ChemBase ID: 13705
Molecular Formular: C5H5ClN2
Molecular Mass: 128.5596
Monoisotopic Mass: 128.01412585
SMILES and InChIs

SMILES:
c1cnc(c(c1)N)Cl
Canonical SMILES:
Nc1cccnc1Cl
InChI:
InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
InChIKey:
MEQBJJUWDCYIAB-UHFFFAOYSA-N

Cite this record

CBID:13705 http://www.chembase.cn/molecule-13705.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloropyridin-3-amine
IUPAC Traditional name
2-chloropyridin-3-amine
Synonyms
3-Amino-2-chloropyridine
2-Chloropyridin-3-amine
3-Amino-2-chloropyridine
2-chloropyridin-3-amine
2-Chloro-3-pyridinamine
3-氨基-2-氯吡啶
CAS Number
6298-19-7
EC Number
228-572-9
MDL Number
MFCD00006238
Beilstein Number
109814
PubChem SID
24846076
24890900
160977012
PubChem CID
80528

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7508216  LogD (pH = 7.4) 0.7508687 
Log P 0.7508693  Molar Refractivity 34.4676 cm3
Polarizability 12.521045 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
75-78°C expand Show data source
76-78 °C(lit.) expand Show data source
76-78°C expand Show data source
76-80°C expand Show data source
78-80 °C expand Show data source
Boiling Point
130-134°C/22mm expand Show data source
130-134°C/22mm expand Show data source
Flash Point
185°C expand Show data source
185°C(365°F) expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
21-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H312-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (NT) expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H5ClN2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209400 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A46900 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reaction with aroyl halides, followed by cyclization with PPSE (see Hexamethyldisiloxane, A11848), gives oxazolo[5,4-b]pyridines in high yield: Synthesis, 64 (1990):
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PATENTS

PATENTS

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INTERNET

INTERNET

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